Basic information
- CAS
82545-23-1- Standard SMILES
COC(=O)C1(C(=O)OC)O[C@@H](c2ccccc2)[C@H]2C(=O)N(C)C(=O)[C@H]21- InChIKey
VOFSOBQKBSDSOY-SRVKXCTJSA-N- Molecular formula
- C17H17NO7
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 347.10050188
Names & identifiers
- Preferred name
- dimethyl (1R,3aR,6aS)-5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
- IUPAC
- dimethyl (1R,3aR,6aS)-5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
Names & synonyms
NSC37677682545-23-1DTXSID00321500NSC-376776Dimethyl (3R,3aS,6aR)-5-methyl-4,6-dioxo-3-phenylhexahydro-1H-furo[3,4-c]pyrrole-1,1-dicarboxylate
Database identifiers
- CAS
82545-23-1- PubChem CID
- 342010
- DTXSID
DTXSID00321500
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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